CID 28316316

2-{3h-imidazo[4,5-b]pyridin-2-yl}ethan-1-amine hydrochloride

Structural Information

Molecular Formula

C₈H₁₀N₄

SMILES

C1=CC2=C(N=C1)N=C(N2)CCN

InChI

InChI=1S/C8H10N4/c9-4-3-7-11-6-2-1-5-10-8(6)12-7/h1-2,5H,3-4,9H2,(H,10,11,12)

InChIKey

MLYGWROVAJJJPL-UHFFFAOYSA-N

Compound name

2-(1H-imidazo[4,5-b]pyridin-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 162.09055 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	163.097826	131.8
[M+Na]+	185.079768	141.9
[M-H]-	161.083274	131.1
[M+NH4]+	180.124373	150.4
[M+K]+	201.053708	137.6
[M+H-H2O]+	145.087810	124.1
[M+HCOO]-	207.088751	153.8
[M+CH3COO]-	221.104401	144.8
[M+Na-2H]-	183.065216	140.4
[M]+	162.09000142	130.8
[M]-	162.09109858	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe